Chemical Properties of Isoquinoline, decahydro- (CAS 6329-61-9)

InChI

InChI=1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2

InChI Key

NENLYAQPNATJSU-UHFFFAOYSA-N

Formula

C9H17N

SMILES

C1CCC2CNCCC2C1

Molecular Weight¹

139.24

CAS

6329-61-9

Other Names

• Decahydroisoquinoline
• Perhydroisoquinoline
• Perhydroisoquinoline,c&t

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-75.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.53	kJ/mol	Joback Calculated Property
ΔvapH°	64.75	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-1.73		Relay (1.0) Calculated Property
logPoct/wat	1.786		Crippen Calculated Property
McVol	125.930	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
I	[1520.00; 1560.00]
I	1560.00		NIST
I	1520.00		NIST
Tboil	484.70	K	Relay (1.0) Calculated Property
Tc	724.65	K	Relay (1.0) Calculated Property
Tfus	327.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.17; 398.63]	J/mol×K	[484.63; 716.80]
Cp,gas	289.17	J/mol×K	484.63	Joback Calculated Property
Cp,gas	310.52	J/mol×K	523.32	Joback Calculated Property
Cp,gas	330.56	J/mol×K	562.02	Joback Calculated Property
Cp,gas	349.35	J/mol×K	600.71	Joback Calculated Property
Cp,gas	366.92	J/mol×K	639.41	Joback Calculated Property
Cp,gas	383.33	J/mol×K	678.10	Joback Calculated Property
Cp,gas	398.63	J/mol×K	716.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoquinoline, decahydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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